Time-Dependent Multi-Component Density Functional Theory for Coupled Electron-Positron Dynamics

TL;DR

This paper develops a first-principles time-dependent multi-component density functional theory to study coupled electron-positron dynamics, revealing complex phenomena such as positron detachment and electronic excitation suppression.

Contribution

It introduces a novel theoretical framework with exact effective potentials for electron-positron dynamics and applies it to a laser-driven positronic molecule.

Findings

Revealed complex positron detachment mechanisms.

Showed suppression of electronic resonant excitation.

Demonstrated significance of electron-positron dynamical correlation.

Abstract

Electron-positron interactions have been utilized in various fields of science. Here we develop time-dependent multi-component density functional theory to study the coupled electron-positron dynamics from first principles. We prove that there are coupled time-dependent single-particle equations that can provide the electron and positron density dynamics, and derive the formally exact expression for their effective potentials. Introducing the adiabatic local density approximation to time dependent electron-positron correlation, we apply the theory to the dynamics of a positronic lithium hydride molecule under a laser field. We demonstrate the significance of electron-positron dynamical correlation by revealing the complex positron detachment mechanism and the suppression of electronic resonant excitation by the screening effect of the positron.